{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.788409 0.25 ] [ 0 0.211591 0.75 ] [ 0.5 0.288409 0.25 ] [ 0.5 0.711591 0.75 ] [ 0.5 0.157169 0.50636 ] [ 0 0.145601 0.25 ] [ 0 0.854399 0.75 ] [ 0.5 0.842831 0.49364 ] [ 0.5 0.157169 0.99364 ] [ 0.5 0.842831 0.00636 ] [ 0 0.657169 0.50636 ] [ 0.5 0.645601 0.25 ] [ 0.5 0.354399 0.75 ] [ 0 0.342831 0.49364 ] [ 0 0.657169 0.99364 ] [ 0 0.342831 0.00636 ] [ 0.5 0.013636 0.25 ] [ 0.5 0.986364 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.513636 0.25 ] [ 0 0.486364 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.24622 0.242277 0.376304 ] [ 0.75378 0.757723 0.623696 ] [ 0.75378 0.242277 0.376304 ] [ 0.24622 0.757723 0.623696 ] [ 0.75378 0.757723 0.876304 ] [ 0.24622 0.242277 0.123696 ] [ 0.24622 0.757723 0.876304 ] [ 0.75378 0.242277 0.123696 ] [ 0.74622 0.742277 0.376304 ] [ 0.25378 0.257723 0.623696 ] [ 0.25378 0.742277 0.376304 ] [ 0.74622 0.257723 0.623696 ] [ 0.25378 0.257723 0.876304 ] [ 0.74622 0.742277 0.123696 ] [ 0.74622 0.257723 0.876304 ] [ 0.25378 0.742277 0.123696 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.51068027 "source-unit" "angstrom" } "b" { "source-value" 12.43500404 "source-unit" "angstrom" } "c" { "source-value" 10.97751837 "source-unit" "angstrom" } }